کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1552680 1513210 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic and optical properties of the O-terminated AlN nanoribbons: First-principles study
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
Electronic and optical properties of the O-terminated AlN nanoribbons: First-principles study
چکیده انگلیسی
We perform first-principles calculations based on density functional theory to study the electronic and optical properties of the O-terminated AlN nanoribbons (AlNNR) with both zigzag and armchair edges (ZAlNNR and AAlNNR) of different widths. The results show that ZAlNNR with six zigzag chains across the ribbon width (6-ZAlNNR) presents metallic properties and AAlNNR with sixteen dimer lines across the ribbon width (16- AAlNNR) is semimetallic because of the terminated O atoms. The dielectric function of 6- and 12-ZAlNNR or 7- and 16-AAlNNR is similar independent of the nanoribbon width if they have the same edge shape, but the wider one has a weak red shift and in the visible range (1.6-3.0 eV) the systems can be seen as optically transparent materials. The peaks of the energy loss correspond to the trailing edges in the reflection spectra.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Superlattices and Microstructures - Volume 91, March 2016, Pages 31-36
نویسندگان
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